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WITHALONGOLIDE_B;27-DEOXY-19-HYDROXYWITHAFERIN_A
SpectraBase Compound ID 7XuxfDwmndB
InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
InChIKey OZBFGYQTKGOIKC-NSYRIIBJSA-N
Mol Weight 470.6 g/mol
Molecular Formula C28H38O6
Exact Mass 470.266839 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 7hzYo8kotVV
Name WITHALONGOLIDE_B;27-DEOXY-19-HYDROXYWITHAFERIN_A
Compound Number 2
Copyright Copyright © 2016-2025 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C28H38O6
InChI InChI=1S/C28H38O6/c1-14-11-21(33-25(32)15(14)2)16(3)18-5-6-19-17-12-24-28(34-24)23(31)8-7-22(30)27(28,13-29)20(17)9-10-26(18,19)4/h7-8,16-21,23-24,29,31H,5-6,9-13H2,1-4H3/t16-,17-,18+,19-,20-,21+,23-,24+,26+,27-,28+/m0/s1
InChIKey OZBFGYQTKGOIKC-NSYRIIBJSA-N
Literature Reference Author H.ZHANG,A.K.SAMADI,R.J.GALLAGHER,J.J.ARAYA,X.TONG,V.W.DAY,M. S.COHEN,K.KINDSCHER,
Literature Reference Citation J.NAT.PROD.,74,2532(2011)
Literature Reference DOI 10.1021/np200635r
Molecular Weight 470.606 g/mol
Sample ID 39626
Solvent CDCl3